HMDB0246539 RDKit 3D 4-Nitrophenyl butyrate 26 26 0 0 0 0 0 0 0 0999 V2000 -4.7337 -0.6382 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 -0.6527 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 0.3608 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 0.4490 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5558 1.2612 -1.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 -0.2936 0.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 -0.1200 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 -0.8452 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -0.5896 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 0.3514 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 0.6211 0.5625 N 0 0 0 0 0 4 0 0 0 0 0 0 5.4899 1.4912 1.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 -0.0409 -0.1560 O 0 0 0 0 0 1 0 0 0 0 0 0 2.8112 1.0652 1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 0.8242 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9434 -1.2709 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0159 0.3908 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 -1.0473 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 -0.3297 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -1.6695 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 1.3528 -0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 0.0787 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -1.5785 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 -1.1499 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 1.8339 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7802 1.4017 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 2 0 15 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 8 23 1 0 9 24 1 0 14 25 1 0 15 26 1 0 M CHG 2 11 1 13 -1 M END